2-hydroxy-2-(4-hydroxyphenyl)acetate

C8H7O4- — CID 5460261

IUPAC2-hydroxy-2-(4-hydroxyphenyl)acetate
SMILESO=C([O-])C(O)c1ccc(O)cc1
InChIInChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/p-1
InChIKeyYHXHKYRQLYQUIH-UHFFFAOYSA-M
MW167.14 g/mol
LogP-0.82
Rot. Bonds2

About 2-hydroxy-2-(4-hydroxyphenyl)acetate

2-hydroxy-2-(4-hydroxyphenyl)acetate (PubChem CID 5460261) has the molecular formula C8H7O4- and a molecular weight of 167.14 g/mol. Its IUPAC name is 2-hydroxy-2-(4-hydroxyphenyl)acetate.

Molecular Properties

Compound Name2-hydroxy-2-(4-hydroxyphenyl)acetate
PubChem CID5460261
Molecular FormulaC8H7O4-
Molecular Weight167.14 g/mol
Exact Mass167.03
IUPAC Name2-hydroxy-2-(4-hydroxyphenyl)acetate
SMILESO=C([O-])C(O)c1ccc(O)cc1
InChIInChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/p-1
InChIKeyYHXHKYRQLYQUIH-UHFFFAOYSA-M
XLogP-0.82
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-hydroxyphenyl)acetate?
The IUPAC name of 2-hydroxy-2-(4-hydroxyphenyl)acetate (CID 5460261) is 2-hydroxy-2-(4-hydroxyphenyl)acetate.
What is the SMILES notation for 2-hydroxy-2-(4-hydroxyphenyl)acetate?
The canonical SMILES for 2-hydroxy-2-(4-hydroxyphenyl)acetate is O=C([O-])C(O)c1ccc(O)cc1.
What is the InChIKey of 2-hydroxy-2-(4-hydroxyphenyl)acetate?
The InChIKey is YHXHKYRQLYQUIH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/p-1.
What are the key properties of 2-hydroxy-2-(4-hydroxyphenyl)acetate?
2-hydroxy-2-(4-hydroxyphenyl)acetate has a molecular weight of 167.14 g/mol, XLogP of -0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 5460261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).